[6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C34H39N11O — CID 177348169

About [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 177348169) has the molecular formula C34H39N11O and a molecular weight of 617.76 g/mol. Its IUPAC name is [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
• PubChem CID: 177348169
• Molecular Formula: C34H39N11O
• Molecular Weight: 617.76 g/mol
• Exact Mass: 617.33
• IUPAC Name: [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
• SMILES: CNc1cc(Nc2cccc3c2N(C)C(C)c2c-3cnn2C2CN(Cc3cccc(C(=O)N4CCCC4)n3)C2)n2nc(C)cc2n1
• InChI: InChI=1S/C34H39N11O/c1-21-15-30-39-29(35-3)16-31(45(30)40-21)38-27-11-8-10-25-26-17-36-44(32(26)22(2)41(4)33(25)27)24-19-42(20-24)18-23-9-7-12-28(37-23)34(46)43-13-5-6-14-43/h7-12,15-17,22,24,38H,5-6,13-14,18-20H2,1-4H3,(H,35,39)
• InChIKey: GXUBMIRRYOBSNY-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 111.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.76
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 177348169) is [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is CNc1cc(Nc2cccc3c2N(C)C(C)c2c-3cnn2C2CN(Cc3cccc(C(=O)N4CCCC4)n3)C2)n2nc(C)cc2n1.

What is the InChIKey of [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?

The InChIKey is GXUBMIRRYOBSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N11O/c1-21-15-30-39-29(35-3)16-31(45(30)40-21)38-27-11-8-10-25-26-17-36-44(32(26)22(2)41(4)33(25)27)24-19-42(20-24)18-23-9-7-12-28(37-23)34(46)43-13-5-6-14-43/h7-12,15-17,22,24,38H,5-6,13-14,18-20H2,1-4H3,(H,35,39).

What are the key properties of [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?

[6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 617.76 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 177348169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).